CID 54691072

Nsc647429

Structural Information

Molecular Formula
C26H29NO4
SMILES
CC1CCN(CC1)CCC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C26H29NO4/c1-18-11-14-27(15-12-18)16-13-20(28)17-22(19-7-3-2-4-8-19)24-25(29)21-9-5-6-10-23(21)31-26(24)30/h2-10,18,22,29H,11-17H2,1H3
InChIKey
KVSDYLTUWJAGOT-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[5-(4-methylpiperidin-1-yl)-3-oxo-1-phenylpentyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.216936 203.4
[M+Na]+ 442.198878 206.9
[M-H]- 418.202384 210.5
[M+NH4]+ 437.243483 210.0
[M+K]+ 458.172818 202.4
[M+H-H2O]+ 402.206920 192.1
[M+HCOO]- 464.207861 215.4
[M+CH3COO]- 478.223511 226.5
[M+Na-2H]- 440.184326 202.6
[M]+ 419.20911142 201.9
[M]- 419.21020858 201.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.